N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide

C25H30N2O3S — CID 43008919

IUPACN-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O3S/c1-17-7-8-22(31(29,30)26-16-18-5-3-2-4-6-18)12-23(17)24(28)27-25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21,26H,9-11,13-16H2,1H3,(H,27,28)
InChIKeyXBFADWCUJMIDHZ-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.17
Rot. Bonds6

About N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide

N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide (PubChem CID 43008919) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
PubChem CID43008919
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O3S/c1-17-7-8-22(31(29,30)26-16-18-5-3-2-4-6-18)12-23(17)24(28)27-25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21,26H,9-11,13-16H2,1H3,(H,27,28)
InChIKeyXBFADWCUJMIDHZ-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide (CID 43008919) is N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide?
The InChIKey is XBFADWCUJMIDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-17-7-8-22(31(29,30)26-16-18-5-3-2-4-6-18)12-23(17)24(28)27-25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21,26H,9-11,13-16H2,1H3,(H,27,28).
What are the key properties of N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide?
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide has a molecular weight of 438.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43008919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).